CID 9796590
Orteronel
Structural Information
- Molecular Formula
- C18H17N3O2
- SMILES
- CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)[C@]3(CCN4C3=CN=C4)O
- InChI
- InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1
- InChIKey
- OZPFIJIOIVJZMN-SFHVURJKSA-N
- Compound name
- 6-[(7S)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 308.13936 | 169.9 |
[M+Na]+ | 330.12130 | 179.6 |
[M-H]- | 306.12480 | 176.0 |
[M+NH4]+ | 325.16590 | 188.8 |
[M+K]+ | 346.09524 | 174.0 |
[M+H-H2O]+ | 290.12934 | 162.1 |
[M+HCOO]- | 352.13028 | 190.7 |
[M+CH3COO]- | 366.14593 | 181.6 |
[M+Na-2H]- | 328.10675 | 174.2 |
[M]+ | 307.13153 | 171.3 |
[M]- | 307.13263 | 171.3 |